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- PDB-6wqm: Crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-s... -

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IDまたはキーワード:

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基本情報

登録情報
データベース: PDB / ID: 6wqm
タイトルCrystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Bartonella henselae
要素2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
キーワードTRANSFERASE / SSGCID / Bartonella henselae / 2 / 3 / 4 / 5-tetrahydropyridine-2 / 6-dicarboxylate N-succinyltransferase / dapD / DAP pathway / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease
機能・相同性
機能・相同性情報


2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase / 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase activity / diaminopimelate biosynthetic process / lysine biosynthetic process via diaminopimelate / cytoplasm
類似検索 - 分子機能
Tetrahydrodipicolinate N-succinyltransferase, transferase hexapeptide repeat family / Tetrahydrodipicolinate-N-succinyltransferase, chain A, domain 1 / Tetrahydrodipicolinate-N-succinyltransferase, N-terminal domain superfamily / Tetrahydrodipicolinate N-succinyltransferase N-terminal / Hexapeptide repeat of succinyl-transferase / Hexapeptide transferase, conserved site / Hexapeptide-repeat containing-transferases signature. / Hexapeptide repeat / Bacterial transferase hexapeptide (six repeats) / Trimeric LpxA-like superfamily
類似検索 - ドメイン・相同性
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
類似検索 - 構成要素
生物種Bartonella henselae (バクテリア)
手法X線回折 / 分子置換 / 解像度: 2.15 Å
データ登録者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
引用ジャーナル: to be published
タイトル: Crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Bartonella henselae
著者: Abendroth, J. / Lorimer, D.D. / Horanyi, P.S. / Edwards, T.E.
履歴
登録2020年4月29日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02020年5月13日Provider: repository / タイプ: Initial release
改定 1.12023年10月18日Group: Data collection / Database references / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

ダウンロードとリンク

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集合体

登録構造単位
A: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
B: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
C: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
D: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
E: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
F: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)191,43013
ポリマ-191,1826
非ポリマー2487
11,205622
1
A: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
B: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
C: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)95,7337
ポリマ-95,5913
非ポリマー1424
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area10860 Å2
ΔGint-121 kcal/mol
Surface area31080 Å2
手法PISA
2
D: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
E: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
F: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)95,6976
ポリマ-95,5913
非ポリマー1063
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area10800 Å2
ΔGint-115 kcal/mol
Surface area31730 Å2
手法PISA
単位格子
Length a, b, c (Å)68.840, 228.220, 71.190
Angle α, β, γ (deg.)90.000, 120.100, 90.000
Int Tables number4
Space group name H-MP1211
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11(chain A and (resid 3 or (resid 4 and (name...
21(chain B and (resid 3 or (resid 4 and (name...
31(chain C and (resid 3 through 5 or (resid 6...
41(chain D and (resid 3 or (resid 4 and (name...
51(chain E and (resid 3 or (resid 4 and (name...
61(chain F and (resid 3 through 11 or resid 13...

NCSドメイン領域:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ASPASPASPASP(chain A and (resid 3 or (resid 4 and (name...AA33
12LEULEULEULEU(chain A and (resid 3 or (resid 4 and (name...AA44
13ASPASPASPASP(chain A and (resid 3 or (resid 4 and (name...AA3 - 2823 - 282
14ASPASPASPASP(chain A and (resid 3 or (resid 4 and (name...AA3 - 2823 - 282
15ASPASPASPASP(chain A and (resid 3 or (resid 4 and (name...AA3 - 2823 - 282
16ASPASPASPASP(chain A and (resid 3 or (resid 4 and (name...AA3 - 2823 - 282
21ASPASPASPASP(chain B and (resid 3 or (resid 4 and (name...BB33
22LEULEULEULEU(chain B and (resid 3 or (resid 4 and (name...BB44
23ASPASPARGARG(chain B and (resid 3 or (resid 4 and (name...BB3 - 2813 - 281
24ASPASPARGARG(chain B and (resid 3 or (resid 4 and (name...BB3 - 2813 - 281
25ASPASPARGARG(chain B and (resid 3 or (resid 4 and (name...BB3 - 2813 - 281
26ASPASPARGARG(chain B and (resid 3 or (resid 4 and (name...BB3 - 2813 - 281
31ASPASPTHRTHR(chain C and (resid 3 through 5 or (resid 6...CC3 - 53 - 5
32GLNGLNGLNGLN(chain C and (resid 3 through 5 or (resid 6...CC66
33THRTHRARGARG(chain C and (resid 3 through 5 or (resid 6...CC2 - 2812 - 281
41ASPASPASPASP(chain D and (resid 3 or (resid 4 and (name...DD33
42LEULEULEULEU(chain D and (resid 3 or (resid 4 and (name...DD44
43THRTHRASPASP(chain D and (resid 3 or (resid 4 and (name...DD2 - 2822 - 282
44THRTHRASPASP(chain D and (resid 3 or (resid 4 and (name...DD2 - 2822 - 282
45THRTHRASPASP(chain D and (resid 3 or (resid 4 and (name...DD2 - 2822 - 282
46THRTHRASPASP(chain D and (resid 3 or (resid 4 and (name...DD2 - 2822 - 282
51ASPASPASPASP(chain E and (resid 3 or (resid 4 and (name...EE33
52LEULEULEULEU(chain E and (resid 3 or (resid 4 and (name...EE44
53THRTHRCLCL(chain E and (resid 3 or (resid 4 and (name...EE - M2 - 3002
54THRTHRCLCL(chain E and (resid 3 or (resid 4 and (name...EE - M2 - 3002
55THRTHRCLCL(chain E and (resid 3 or (resid 4 and (name...EE - M2 - 3002
56THRTHRCLCL(chain E and (resid 3 or (resid 4 and (name...EE - M2 - 3002
61ASPASPILEILE(chain F and (resid 3 through 11 or resid 13...FF3 - 113 - 11
62LYSLYSASPASP(chain F and (resid 3 through 11 or resid 13...FF13 - 1613 - 16
63ASPASPASPASP(chain F and (resid 3 through 11 or resid 13...FF1717
64ASPASPASPASP(chain F and (resid 3 through 11 or resid 13...FF3 - 2823 - 282
65ASPASPASPASP(chain F and (resid 3 through 11 or resid 13...FF3 - 2823 - 282
66ASPASPASPASP(chain F and (resid 3 through 11 or resid 13...FF3 - 2823 - 282
67ASPASPASPASP(chain F and (resid 3 through 11 or resid 13...FF3 - 2823 - 282

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要素

#1: タンパク質
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase / Tetrahydrodipicolinate N-succinyltransferase / Tetrahydropicolinate succinylase


分子量: 31863.631 Da / 分子数: 6 / 断片: BaheA.00606.a.AE1 / 由来タイプ: 組換発現
由来: (組換発現) Bartonella henselae (バクテリア)
: ATCC 49882 / DSM 28221 / Houston 1 / 遺伝子: dapD, BH00720 / プラスミド: BaheA.00606.a.AE1
発現宿主: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (大腸菌)
株 (発現宿主): BL21(DE3)
参照: UniProt: Q6G549, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
#2: 化合物
ChemComp-CL / CHLORIDE ION / クロリド


分子量: 35.453 Da / 分子数: 7 / 由来タイプ: 合成 / : Cl
#3: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 622 / 由来タイプ: 天然 / : H2O
研究の焦点であるリガンドがあるかN

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 2.53 Å3/Da / 溶媒含有率: 51.49 %
結晶化温度: 290 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7.5
詳細: Microlytic MCSG-1 screen, condition B9: 200mM MgCl2, 20% (w/V) PEG 3350: BaheA.00606.a.AE1.PS38599 at 31.38mg/ml, cryo: 20% EG in 2 steps, tray 312827b9, puck ocl1-1

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データ収集

回折平均測定温度: 100 K / Serial crystal experiment: N
放射光源由来: 回転陽極 / タイプ: RIGAKU FR-E+ SUPERBRIGHT / 波長: 1.5418 Å
検出器タイプ: RIGAKU SATURN 944+ / 検出器: CCD / 日付: 2020年1月8日
放射モノクロメーター: RIGAKU VARIMAX HR / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 1.5418 Å / 相対比: 1
反射解像度: 2.15→46.89 Å / Num. obs: 101155 / % possible obs: 98.2 % / 冗長度: 12.834 % / Biso Wilson estimate: 40.945 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.09 / Rrim(I) all: 0.093 / Χ2: 1 / Net I/σ(I): 19.06 / Num. measured all: 1298212 / Scaling rejects: 692
反射 シェル

Diffraction-ID: 1

解像度 (Å)冗長度 (%)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. possibleNum. unique obsCC1/2Rrim(I) all% possible all
2.15-2.216.5050.3284.8142440758165240.8960.35486.1
2.21-2.277.9350.2716.8956836738271630.930.28997
2.27-2.3310.1710.2548.4172815725671590.9640.26898.7
2.33-2.411.9230.2349.882211698468950.9750.24598.7
2.4-2.4812.5430.2111.0684463678367340.9810.21999.3
2.48-2.5713.1820.19112.4785830656165110.9850.19999.2
2.57-2.6713.6770.16414.7986261633763070.9890.1799.5
2.67-2.7814.1290.14617.1286173612260990.9910.15299.6
2.78-2.914.4540.12819.8683966583058090.9930.13399.6
2.9-3.0414.5780.10923.7581185559155690.9950.11399.6
3.04-3.2114.690.10225.6377812531252970.9950.10599.7
3.21-3.414.6970.09527.6473987505550340.9960.09999.6
3.4-3.6314.7160.08830.3369180472547010.9960.09199.5
3.63-3.9314.6750.08331.9164425440443900.9970.08699.7
3.93-4.314.760.07932.8159865407740560.9970.08299.5
4.3-4.8114.780.07633.4353992367236530.9970.07899.5
4.81-5.5514.8060.07633.0347985326032410.9980.07899.4
5.55-6.814.8640.07532.2640563274327290.9980.07899.5
6.8-9.6214.7650.06533.531361214821240.9990.06898.9
9.62-46.8914.5360.05334.216862119011600.9980.05597.5

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解析

ソフトウェア
名称バージョン分類
XDSデータ削減
XSCALEデータスケーリング
PHENIX1.18rc7精密化
PDB_EXTRACT3.25データ抽出
MoRDa位相決定
Cootモデル構築
精密化構造決定の手法: 分子置換
開始モデル: PDB entry 3eg4 as per MoRDa
解像度: 2.15→46.89 Å / SU ML: 0.32 / 交差検証法: THROUGHOUT / σ(F): 1.35 / 位相誤差: 24.94 / 立体化学のターゲット値: ML
Rfactor反射数%反射Selection details
Rfree0.2528 1950 1.93 %0
Rwork0.2061 ---
obs0.207 101149 98.54 %-
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å
原子変位パラメータBiso max: 150.84 Å2 / Biso mean: 46.8224 Å2 / Biso min: 17.66 Å2
精密化ステップサイクル: final / 解像度: 2.15→46.89 Å
タンパク質核酸リガンド溶媒全体
原子数12570 0 7 624 13201
Biso mean--35.16 39 -
残基数----1681
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00712884
X-RAY DIFFRACTIONf_angle_d0.95517561
X-RAY DIFFRACTIONf_dihedral_angle_d19.5294557
X-RAY DIFFRACTIONf_chiral_restr0.0612031
X-RAY DIFFRACTIONf_plane_restr0.0072274
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDRmsタイプ
11A7115X-RAY DIFFRACTION9.699TORSIONAL
12B7115X-RAY DIFFRACTION9.699TORSIONAL
13C7115X-RAY DIFFRACTION9.699TORSIONAL
14D7115X-RAY DIFFRACTION9.699TORSIONAL
15E7115X-RAY DIFFRACTION9.699TORSIONAL
16F7115X-RAY DIFFRACTION9.699TORSIONAL
LS精密化 シェル

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.15-2.20.33351670.28316093626086
2.2-2.260.31651500.26416936708697
2.26-2.330.28511630.25377118728199
2.33-2.410.27581810.24297046722799
2.41-2.490.2771870.235470887275100
2.49-2.590.33391240.241471977321100
2.59-2.710.33471060.244171997305100
2.71-2.850.30141190.245371957314100
2.85-3.030.30121190.226472007319100
3.03-3.260.25631140.227972277341100
3.26-3.590.27161190.213271997318100
3.59-4.110.2287960.184172797375100
4.11-5.180.19591500.158471827332100
5.18-46.890.19191550.165672407395100
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
13.3439-1.02810.71630.42610.02443.18730.23290.8074-0.276-0.0375-0.072-0.19140.20911.0093-0.1550.24740.0381-0.01350.6604-0.16410.43486.926-8.03786.6928
22.9572-0.95240.31921.8156-0.57022.46020.0239-0.1913-0.55230.13250.1724-0.06150.36550.8131-0.18840.18510.0515-0.01540.4851-0.0730.43354.2522-10.051620.896
31.3603-0.1961-0.3411.18180.09932.08640.01620.1065-0.38190.0173-0.07740.0296-0.0766-0.05890.04650.13230.013-0.03310.2587-0.04390.3692-10.432-3.481921.1627
41.85230.0105-0.25772.01790.75344.11230.071-0.5513-0.19740.08690.1408-0.401-0.39250.8453-0.18120.2271-0.0535-0.0650.4092-0.02310.35730.53131.85233.2446
54.32131.61411.28032.7331.52940.9105-0.1057-0.5950.00970.24570.2701-0.7442-0.65990.9653-0.03220.5663-0.1889-0.1520.8112-0.12550.5547.956711.22242.474
63.81310.0169-0.20552.7824-0.83841.8198-0.069-0.04110.28920.43790.0406-0.6877-1.12090.56570.10630.7375-0.2331-0.15230.7554-0.04650.43147.629116.62344.3803
75.4228-0.4713-0.76163.97250.56532.9119-0.5306-1.1973-0.42051.30740.2545-0.00390.11340.25750.19410.68560.08920.03440.7690.14290.3036-1.89090.633452.8606
80.02730.09460.03210.41950.12810.0371-0.1607-0.06220.24060.0545-0.03810.2201-0.2443-0.1643-0.17361.0620.54370.12740.48970.37861.0024-32.225835.894312.8746
91.369-0.71360.04082.5734-0.92462.8985-0.08630.30330.3164-0.19770.06060.0704-0.931-0.23160.13230.82620.25080.03110.45980.20850.4714-19.086731.792310.4107
100.91180.114-0.22241.21950.09340.6980.15310.3212-0.0128-0.1893-0.00940.286-0.7719-0.3307-0.08340.44140.1937-0.02580.3590.09250.327-22.107916.352514.5444
112.20890.4866-0.6642.6002-0.44112.09380.39150.02590.1799-0.0154-0.2185-0.374-0.70950.1828-0.16350.5071-0.0115-0.00350.24240.04740.3131-9.112920.005118.5421
124.1593-1.88820.92813.0618-0.13042.7730.04060.01770.43840.34620.1338-0.3381-0.8568-0.0685-0.16840.8062-0.06320.03510.31240.01120.3571-7.751627.711924.2197
132.065-1.8856-0.40014.785-1.08612.7194-0.1958-0.69190.70230.10760.3025-1.1392-0.99590.4001-0.05710.8999-0.2021-0.06360.4388-0.12770.61631.167130.73633.6345
140.702-0.55030.89960.9586-0.86651.2182-0.4056-0.47940.44640.18110.0796-0.3606-1.09560.27850.10330.8824-0.2579-0.12910.8079-0.07250.51242.246929.862339.5598
150.97060.7034-0.29381.40711.12154.0450.6599-0.1084-0.0343-0.0977-0.3286-0.5011-0.77641.1071-0.2030.5766-0.08340.04950.86180.10570.591511.463322.730721.4017
161.91071.6226-1.33326.80272.86286.81620.0534-0.211-0.58490.8921-0.2768-0.38540.7864-0.49380.29040.4608-0.02520.08560.5270.2080.6243-34.6758-10.123949.5154
170.81572.0865-0.83337.78230.12134.6534-0.24030.1791-0.316-0.159-0.08780.3060.4385-0.94160.28190.3232-0.00710.0770.6030.01460.4285-37.9971-3.584842.0089
185.9060.38773.94852.104-0.20355.5599-0.0772-1.48150.03980.607-0.28250.0539-0.7289-0.83780.2860.55050.03370.0990.65340.01170.4227-31.818810.838253.0647
191.8750.1945-0.52081.69590.05462.56720.0869-0.21330.00840.2868-0.05660.2107-0.4195-0.3433-0.01560.26090.07890.02070.29180.02160.3173-27.18276.726136.022
203.89790.320.8065.26663.10141.93510.1201-0.5082-0.11290.42750.2659-0.0741-1.09920.2857-0.25450.7754-0.0969-0.00270.4921-0.11490.3468-13.865320.494247.9462
215.8705-0.3789-0.08461.3781-0.5060.9777-0.3702-0.3960.23190.5980.0622-0.2394-0.74690.23680.22630.92-0.0997-0.12080.6845-0.09670.4395-3.9622.837851.1848
222.817-1.3212-0.08411.98751.69812.01420.1131-0.05831.3043-0.2630.0560.4116-1.5412-0.3647-0.20991.56050.29520.12440.50110.01950.7993-19.773434.492943.6672
234.3485-0.69832.99973.21830.27784.9313-0.211-0.50490.75630.4739-0.08440.3854-0.1293-0.07410.25040.28410.03470.020.3823-0.16870.447122.9234-9.901919.9547
243.22970.9350.07782.53081.37935.83280.1264-0.03350.24550.0125-0.2241-0.00970.0975-0.52860.09030.16790.01180.00280.2729-0.08060.326424.5694-17.469215.5467
251.5675-0.2556-0.34772.2885-0.25881.3416-0.1356-0.08620.0650.18080.00470.17850.3351-0.21750.13360.3101-0.08640.07270.3335-0.10310.236126.727-32.692912.9795
263.4609-1.0947-0.35082.69370.08615.7591-0.0312-0.00760.3337-0.1829-0.01910.0099-0.032-0.21530.03990.1988-0.06660.05490.2425-0.05490.246729.9843-25.6639-2.4806
274.8948-1.451-1.8471.1236-0.4762.21070.19140.150.7029-0.58740.0112-0.4103-0.16860.1038-0.21310.466-0.10160.12050.3712-0.06730.363940.6146-22.6855-16.895
282.39580.12321.55596.24460.62717.56810.40881.0425-0.7106-0.6577-0.11610.4510.6719-1.4108-0.19130.5189-0.0383-0.12330.8388-0.18990.496923.3242-31.9948-20.066
290.60230.37990.59621.11150.66520.6816-0.1103-0.0565-0.1318-0.1017-0.11190.39740.2777-0.35560.3971.0301-0.5320.18210.4273-0.4160.622715.0014-62.8009-3.4353
302.12-1.24910.97412.0672.18136.16320.13090.3453-0.0848-0.54530.0188-0.16850.52320.1631-0.06991.1047-0.32220.38460.6542-0.39390.494331.4055-62.0788-14.4891
311.23210.480.29251.22840.29361.5953-0.08440.0866-0.2838-0.0198-0.09460.02720.776-0.05490.09160.6871-0.11420.13790.2951-0.12480.403432.057-53.55431.3082
322.36820.3817-0.09213.3414-0.09241.9833-0.16010.3064-0.2092-0.3090.09950.00320.4120.0850.10490.5991-0.05480.15530.4109-0.15310.386443.5502-44.893-16.683
331.53240.1534-0.08592.285-0.23152.28440.00520.3585-0.0574-0.901-0.1099-0.12460.2970.05690.16730.6384-0.11830.1860.5346-0.11650.343745.6288-37.4851-22.8488
340.00890.0081-0.0080.0011-0.00050.0017-0.16690.0278-0.5578-0.1392-0.027-0.03610.2201-0.00440.26240.76470.11570.25680.9258-0.17590.761658.0259-51.2839-13.624
352.81550.4577-0.4040.5808-0.84623.3681-0.3742-0.6062-0.64760.71920.3071-1.0660.49110.76820.1480.87190.3049-0.1880.83290.11141.19465.0848-57.466219.1683
362.8215-0.04820.62174.17090.48563.83780.0503-0.3557-0.46850.8020.2819-0.8893-0.10841.0107-0.21080.42630.0419-0.13680.7882-0.03660.521962.7705-43.023118.1619
372.31040.4885-0.8242.0382-0.06151.4283-0.0532-0.2008-0.29890.69270.0596-0.34580.65640.34780.10130.69370.0947-0.03290.4651-0.01710.339646.2659-47.374918.9983
383.41261.2504-0.31522.3089-0.14013.9722-0.0689-0.37580.02370.1877-0.0172-0.28050.18440.52520.01430.34340.0542-0.03060.3939-0.08620.304952.1113-35.908610.3004
396.4916-0.1947-1.25744.695-0.54774.151-0.1736-0.0234-0.5870.13880.269-0.37850.11030.0782-0.06650.3381-0.01550.06950.4176-0.11010.343954.6926-31.04550.6372
404.3374-1.8356-1.41474.1257-1.05283.0253-0.04520.02460.1451-0.98130.0443-0.65170.04920.41320.06320.4863-0.16910.18760.6477-0.16470.407358.7351-29.5433-9.3537
411.2559-0.16982.18061.22560.97896.2257-0.270.66650.0174-0.33440.2135-0.2961-0.16970.8105-0.0190.4238-0.17020.13870.5261-0.11460.437155.6366-28.9062-14.4998
425.81142.9438-0.78875.3381.21812.1609-0.02980.14840.56370.17930.122-0.0661-0.01620.055-0.06410.3268-0.0851-0.04660.4896-0.21420.547553.2976-14.7121.5358
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 26 )A3 - 26
2X-RAY DIFFRACTION2chain 'A' and (resid 27 through 59 )A27 - 59
3X-RAY DIFFRACTION3chain 'A' and (resid 60 through 148 )A60 - 148
4X-RAY DIFFRACTION4chain 'A' and (resid 149 through 206 )A149 - 206
5X-RAY DIFFRACTION5chain 'A' and (resid 207 through 229 )A207 - 229
6X-RAY DIFFRACTION6chain 'A' and (resid 230 through 265 )A230 - 265
7X-RAY DIFFRACTION7chain 'A' and (resid 266 through 282 )A266 - 282
8X-RAY DIFFRACTION8chain 'B' and (resid 3 through 26 )B3 - 26
9X-RAY DIFFRACTION9chain 'B' and (resid 27 through 59 )B27 - 59
10X-RAY DIFFRACTION10chain 'B' and (resid 60 through 133 )B60 - 133
11X-RAY DIFFRACTION11chain 'B' and (resid 134 through 166 )B134 - 166
12X-RAY DIFFRACTION12chain 'B' and (resid 167 through 206 )B167 - 206
13X-RAY DIFFRACTION13chain 'B' and (resid 207 through 229 )B207 - 229
14X-RAY DIFFRACTION14chain 'B' and (resid 230 through 265 )B230 - 265
15X-RAY DIFFRACTION15chain 'B' and (resid 266 through 281 )B266 - 281
16X-RAY DIFFRACTION16chain 'C' and (resid 2 through 26 )C2 - 26
17X-RAY DIFFRACTION17chain 'C' and (resid 27 through 42 )C27 - 42
18X-RAY DIFFRACTION18chain 'C' and (resid 43 through 59 )C43 - 59
19X-RAY DIFFRACTION19chain 'C' and (resid 60 through 186 )C60 - 186
20X-RAY DIFFRACTION20chain 'C' and (resid 187 through 229 )C187 - 229
21X-RAY DIFFRACTION21chain 'C' and (resid 230 through 265 )C230 - 265
22X-RAY DIFFRACTION22chain 'C' and (resid 266 through 281 )C266 - 281
23X-RAY DIFFRACTION23chain 'D' and (resid 2 through 16 )D2 - 16
24X-RAY DIFFRACTION24chain 'D' and (resid 17 through 59 )D17 - 59
25X-RAY DIFFRACTION25chain 'D' and (resid 60 through 148 )D60 - 148
26X-RAY DIFFRACTION26chain 'D' and (resid 149 through 208 )D149 - 208
27X-RAY DIFFRACTION27chain 'D' and (resid 209 through 265 )D209 - 265
28X-RAY DIFFRACTION28chain 'D' and (resid 266 through 282 )D266 - 282
29X-RAY DIFFRACTION29chain 'E' and (resid 2 through 42 )E2 - 42
30X-RAY DIFFRACTION30chain 'E' and (resid 43 through 59 )E43 - 59
31X-RAY DIFFRACTION31chain 'E' and (resid 60 through 186 )E60 - 186
32X-RAY DIFFRACTION32chain 'E' and (resid 187 through 229 )E187 - 229
33X-RAY DIFFRACTION33chain 'E' and (resid 230 through 265 )E230 - 265
34X-RAY DIFFRACTION34chain 'E' and (resid 266 through 282 )E266 - 282
35X-RAY DIFFRACTION35chain 'F' and (resid 3 through 26 )F3 - 26
36X-RAY DIFFRACTION36chain 'F' and (resid 27 through 59 )F27 - 59
37X-RAY DIFFRACTION37chain 'F' and (resid 60 through 116 )F60 - 116
38X-RAY DIFFRACTION38chain 'F' and (resid 117 through 188 )F117 - 188
39X-RAY DIFFRACTION39chain 'F' and (resid 189 through 208 )F189 - 208
40X-RAY DIFFRACTION40chain 'F' and (resid 209 through 229 )F209 - 229
41X-RAY DIFFRACTION41chain 'F' and (resid 230 through 265 )F230 - 265
42X-RAY DIFFRACTION42chain 'F' and (resid 266 through 282 )F266 - 282

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万見について

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お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

  • EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
  • これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月:コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか? / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例:em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

  • 万見(Yorodumi)は、EMDB/PDB/SASBDBなどの構造データを閲覧するためのページです。
  • EM Navigatorの詳細ページの後継、Omokage検索のフロントエンドも兼ねています。

関連情報:EMDB / PDB / SASBDB / 3つのデータバンクの比較 / 万見検索 / 2016年8月31日: 新しいEM Navigatorと万見 / 万見文献 / Jmol/JSmol / 機能・相同性情報 / 新しいEM Navigatorと万見の変更点

他の情報も見る